CAS
94087-17-9 Purity
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94087-17-9 Purity
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![1-[2-[[2-Cyano-3-[4-(dimethylamino)phenyl]-1-oxoallyl]oxy]ethyl]-1-methyl-1himidazolium acetate](https://resource.alfa-chemistry.com/structure/94087-18-0.gif)
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2,2,5-Trimethylhex-4-enyl acetate
CAS
94087-22-6
Catalog Number
ACM94087226
Category
Other Products
Molecular Weight
184.2753
Molecular Formula
C11H20O2
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Specification
Synonyms
EINECS 301-915-0, 2,2,5-Trimethylhex-4-enyl acetate, CID3023426, 94087-22-6
IUPAC Name
2,2,5-trimethylhex-4-enyl acetate
Canonical SMILES
CC(=CCC(C)(C)COC(=O)C)C
InChI Key
GRPUBXWYKFLPCY-UHFFFAOYSA-N
Boiling Point
195.1ºC at 760mmHg
Flash Point
53.1ºC
Density
0.89g/cm³
EC Number
301-915-0
Exact Mass
184.14600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2,2,5-Trimethylhex-4-enyl acetate?
The molecular formula of 2,2,5-Trimethylhex-4-enyl acetate is C11H20O2.
When was 2,2,5-Trimethylhex-4-enyl acetate created?
2,2,5-Trimethylhex-4-enyl acetate was created on August 8, 2005.
What is the IUPAC name of 2,2,5-Trimethylhex-4-enyl acetate?
The IUPAC name of 2,2,5-Trimethylhex-4-enyl acetate is 2,2,5-trimethylhex-4-enyl acetate.
What is the molecular weight of 2,2,5-Trimethylhex-4-enyl acetate?
The molecular weight of 2,2,5-Trimethylhex-4-enyl acetate is 184.27 g/mol.
How many hydrogen bond donor counts does 2,2,5-Trimethylhex-4-enyl acetate have?
2,2,5-Trimethylhex-4-enyl acetate has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of 2,2,5-Trimethylhex-4-enyl acetate?
The XLogP3-AA value of 2,2,5-Trimethylhex-4-enyl acetate is 3.3.
How many rotatable bond counts does 2,2,5-Trimethylhex-4-enyl acetate have?
2,2,5-Trimethylhex-4-enyl acetate has 5 rotatable bond counts.
What is the topological polar surface area of 2,2,5-Trimethylhex-4-enyl acetate?
The topological polar surface area of 2,2,5-Trimethylhex-4-enyl acetate is 26.3 Ų.
Is 2,2,5-Trimethylhex-4-enyl acetate a canonicalized compound?
Yes, 2,2,5-Trimethylhex-4-enyl acetate is a canonicalized compound.
How many defined atom stereocenter counts does 2,2,5-Trimethylhex-4-enyl acetate have?
2,2,5-Trimethylhex-4-enyl acetate has 0 defined atom stereocenter counts.
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